[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate
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[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate
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CAS No:
133806-60-7
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Formula:
C23H26O7
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Chemical Name:
[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate
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Synonyms:
5-1''-acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione;purpactin B;Purpactin B;133806-60-7;1-[2'-(hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl]-3-methylbutyl acetate;SCHEMBL7758611;DTXSID40928279;FO-608B;[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate;5-1''-Acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione
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CAS No:
[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate Basic Attributes
414.4 g/mol
414.16785316 g/mol
Drug Information
5-1''-acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione
Computed Properties
Molecular Weight:414.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:414.16785316
Monoisotopic Mass:414.16785316
Topological Polar Surface Area:99.1
Heavy Atom Count:30
Complexity:780
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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